Reaction Details  Report a problem with these data
Target
Histamine H1 receptor
Ligand
BDBM50240514
Substrate
n/a
Meas. Tech.
ChEMBL_540493 (CHEMBL1030597)
Ki
3.75±n/a nM
Citation
 von Coburg, Y; Kottke, T; Weizel, L; Ligneau, X; Stark, H Potential utility of histamine H3 receptor antagonist pharmacophore in antipsychotics. Bioorg Med Chem Lett 19:538-42 (2008) [PubMed]  Article
Target
Name:
Histamine H1 receptor
Synonyms:
H1R | HH1R | HISTAMINE H1 | HRH1 | HRH1_HUMAN
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
55808.72
Organism:
Homo sapiens (Human)
Description:
Cell pellets from SK-N-MC cells transfected with human H1 receptor were used in binding assay.
Residue:
487
Sequence:
MSLPNSSCLLEDKMCEGNKTTMASPQLMPLVVVLSTICLVTVGLNLLVLYAVRSERKLHTVGNLYIVSLSVADLIVGAVVMPMNILYLLMSKWSLGRPLCLFWLSMDYVASTASIFSVFILCIDRYRSVQQPLRYLKYRTKTRASATILGAWFLSFLWVIPILGWNHFMQQTSVRREDKCETDFYDVTWFKVMTAIINFYLPTLLMLWFYAKIYKAVRQHCQHRELINRSLPSFSEIKLRPENPKGDAKKPGKESPWEVLKRKPKDAGGGSVLKSPSQTPKEMKSPVVFSQEDDREVDKLYCFPLDIVHMQAAAEGSSRDYVAVNRSHGQLKTDEQGLNTHGASEISEDQMLGDSQSFSRTDSDTTTETAPGKGKLRSGSNTGLDYIKFTWKRLRSHSRQYVSGLHMNRERKAAKQLGFIMAAFILCWIPYFIFFMVIAFCKNCCNEHLHMFTIWLGYINSTLNPLIYPLCNENFKKTFKRILHIRS
  
Inhibitor
Name:
BDBM50240514
Synonyms:
(3Z)-3-(2-chloro-9H-thioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine | (Z)-2-Chloro-9-(omega-dimethylaminopropylidene)thioxanthene | (Z)-chlorprothixene | CHEMBL908 | CHLORPROTHIXENE | cis-2-Chloro-9-(3-dimethylaminopropylidene)thioxanthene
Type:
Small organic molecule
Emp. Form.:
C18H18ClNS
Mol. Mass.:
315.86
SMILES:
CN(C)CC\C=C1\c2ccccc2Sc2ccc(Cl)cc12
Structure:
Search PDB for entries with ligand similarity: